CID 159322

2-methoxyethyl nonanoate

Structural Information

Molecular Formula
C12H24O3
SMILES
CCCCCCCCC(=O)OCCOC
InChI
InChI=1S/C12H24O3/c1-3-4-5-6-7-8-9-12(13)15-11-10-14-2/h3-11H2,1-2H3
InChIKey
SWYNLZZOIDBOEM-UHFFFAOYSA-N
Compound name
2-methoxyethyl nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

216.17255 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.179826 154.6
[M+Na]+ 239.161768 159.4
[M-H]- 215.165274 153.9
[M+NH4]+ 234.206373 173.4
[M+K]+ 255.135708 158.9
[M+H-H2O]+ 199.169810 148.8
[M+HCOO]- 261.170751 176.4
[M+CH3COO]- 275.186401 190.5
[M+Na-2H]- 237.147216 157.2
[M]+ 216.17200142 161.1
[M]- 216.17309858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe